SCHEMBL17875754

SCHEMBL17875754

c1ccc(-c2cc(-c3ccc4c(c3)-c3ccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc3CSC4)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.50
CYP11B1 P15538 11/20 0.44
CYP11B2 P19099 11/20 0.44
CYP1A2 P05177 6/20 0.43
TDP2 O95551 2/20 0.43
PDK2 Q15119 1/20 0.42
CYP17A1 P05093 4/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KDM1A O60341 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17875770 1.00 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2CYP1A2TDP2
SCHEMBL17875807 0.95 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2CYP1A2TDP2
SCHEMBL17875768 0.92 TDP2 (0.50) CYP19A1CYP11B1CYP11B2CYP1A2TDP2
SCHEMBL17875750 0.92 TDP2 (0.50) CYP19A1CYP11B1CYP11B2CYP1A2TDP2
SCHEMBL17875800 0.91 CYP11B1 (0.52) CYP19A1CYP11B1CYP11B2CYP1A2TDP2
SCHEMBL17875751 0.89 CYP19A1 (0.38) CYP19A1TDP2PDK2DHODHKDM4E
SCHEMBL17875757 0.89 CYP19A1 (0.38) CYP19A1TDP2PDK2DHODHKDM4E
SCHEMBL17875787 0.89 MAPT (0.37) CYP19A1TDP2PDK2KDM4EALDH1A1
SCHEMBL17875799 0.87 TDP2 (0.51) CYP19A1CYP11B1CYP11B2CYP1A2TDP2
SCHEMBL17875802 0.85 CYP11B1 (0.54) CYP19A1CYP11B1CYP11B2CYP1A2TDP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10581000-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-03-03 US disclosed
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10581000-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, CCNE2 CYP19A1 167/4885CYP11B1 938/4885CYP11B2 1374/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CYP19A1 167/4885CYP11B1 938/4885CYP11B2 1374/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.